SCHEMBL18930455

SCHEMBL18930455

N#Cc1ccc(C[C@@H](N)CN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP8 Q6V1X1 2/20 0.45
FAP Q12884 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
HRH3 Q9Y5N1 7/20 0.44
CCR2 P41597 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.38
CACNA1B Q00975 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL21144824 0.98 DPP4 (0.47) DPP4KCNJ1KCNH2DPP8FAP
Hydrochloric Acid SCHEMBL21144826 0.98 DPP4 (0.47) DPP4KCNJ1KCNH2DPP8FAP
SCHEMBL18930743 0.87 KCNJ1 (0.50) DPP4KCNJ1KCNH2DPP8FAP
SCHEMBL18930744 0.87 KDM4E (0.50) DPP4KCNJ1KCNH2DPP8FAP
Hydrochloric Acid SCHEMBL21144787 0.85 KDM4E (0.49) DPP4KCNJ1KCNH2DPP8FAP
Hydrochloric Acid SCHEMBL21144789 0.85 KDM4E (0.49) DPP4KCNJ1KCNH2DPP8FAP
Hydrochloric Acid SCHEMBL21144686 0.85 KCNH2 (0.49) DPP4KCNJ1KCNH2DPP8FAP
Hydrochloric Acid SCHEMBL21144684 0.85 KCNH2 (0.49) DPP4KCNJ1KCNH2DPP8FAP
SCHEMBL763741 0.79 TAAR1 (0.47) DPP4
SCHEMBL3594490 0.78 EPHX1 (0.57) CYP2D6TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885KCNJ1 1165/4885KCNH2 2927/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885KCNJ1 1165/4885KCNH2 2927/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.